4-Bromo-2-methyl-1-nitrobenzene

Basic Information

View in Editor

CAS Number

52414-98-9

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

53-55 ºC

Boiling Point

265.4°C at 760 mmHg

Density

1.615

Flash Point

114 ºC

Refractive Index

1.6120 (estimate)

SMILES

View in Editor

CC1=C(C=CC(=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H6BrNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3

InChIKey

PAHAIHXVVJMZKU-UHFFFAOYSA-N

LogP

3.18890

Complexity

157

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC 72323
EN300-116601
A829067
A9361
4-bromo-2-methyl-1-nitrobenzene
MB00735
FT-0600257
DS-12673
EINECS 230-481-4
DTXSID30871184
GEO-02626
3-Bromo-6-nitrotoluene
CL8841
4-bromo-2-methyl-1-nitro-benzene
SCHEMBL1459853
MFCD00137824
4-Fluoro-Benzamidinehydrochloride
AKOS003654136
CS-W000606
AM83173
4-Bromo-2-methyl-nitrobenzene
4-Bromo-2-methylnitrobenzene
W-200407
5-Bromo-2-nitrotoluene
Benzene, 4-bromo-2-methyl-1-nitro-
PAHAIHXVVJMZKU-UHFFFAOYSA-N
52414-98-9
SY017691
4-Bromo-2-methyl-1-nitrobenzene
2-BROMO-5-NITROTOLUENE
4-Bromo-6-methylnitrobenzene

MDL Number

MFCD00137824

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9)?

4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9) is a crystalline compound with a molecular weight of approximately 229.04 g/mol. It has a melting point of 124-125°C and is slightly soluble in water. This compound is known for its high reactivity, particularly towards nucleophilic substitution and reduction reactions.

How is 4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9) typically synthesized?

4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9) is typically synthesized by bromination of 2-methyl-1-nitrobenzene followed by purification. Common methods include the use of N-bromosuccinimide (NBS) as the brominating agent in an inert solvent like benzene or toluene under light or heat. The yield is usually around 70-80%, with high selectivity for the bromination reaction.

What industries use 4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9)?

4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9) is used in the pharmaceutical industry for the synthesis of various drug intermediates, and in the polymer industry for the development of functional polymers. It also finds applications in the sensor and semiconductor industries, particularly in the preparation of derivatized compounds for specific sensing applications.

What precautions should be taken when handling 4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9)?

When handling 4-Bromo-2-methyl-1-nitrobenzene (CAS: 52414-98-9), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be ventilated. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.